SCHEMBL6846907

SCHEMBL6846907

O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(OCc2cncc3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 6/20 0.49
NAMPT P43490 1/20 0.49
NR1H4 Q96RI1 1/20 0.48
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
ABL1 P00519 2/20 0.47
SIRT2 Q8IXJ6 2/20 0.47
SIRT3 Q9NTG7 2/20 0.47
SIRT1 Q96EB6 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
NTRK1 P04629 1/20 0.46
GPR142 Q7Z601 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6841240 0.81 MEN1 (0.47) NR1H4SIRT2SIRT3SIRT1MEN1
SCHEMBL6846695 0.81 SIRT2 (0.45) NR1H4SIRT2SIRT3SIRT1MEN1
SCHEMBL6845358 0.80 NPC1 (0.47) NR1H4SIRT2SIRT3SIRT1MEN1
SCHEMBL6846623 0.80 GPR132 (0.45) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL6846538 0.80 ATM (0.48) BRAFMEN1KMT2ANPC1RAB9A
SCHEMBL6846662 0.79 NPC1 (0.53) BRAFNR1H4SIRT2SIRT3SIRT1
Hydrochloric Acid SCHEMBL6845436 0.79 ATM (0.47) BRAFMEN1KMT2ANPC1RAB9A
SCHEMBL6848196 0.79 CYSLTR1 (0.58) NR1H4MEN1KMT2ANPC1RAB9A
SCHEMBL6846715 0.79 MMP9 (0.56) NPC1RAB9APOLBCASP3SENP8
Hydrochloric Acid SCHEMBL6846679 0.79 NPC1 (0.55) SIRT2SIRT3SIRT1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US claimed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP claimed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US claimed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO claimed
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA BRAF 1/4885NAMPT 1253/4885NR1H4 3220/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA BRAF 1/4885NAMPT 1253/4885NR1H4 3220/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.